5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid

C15H14ClN3O3 — CID 122057769

IUPAC5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C15H14ClN3O3/c16-11-3-1-10(2-4-11)13-9-19(5-6-22-13)14-8-17-12(7-18-14)15(20)21/h1-4,7-8,13H,5-6,9H2,(H,20,21)/t13-/m0/s1
InChIKeyXQZNLCYCABWBLG-ZDUSSCGKSA-N
MW319.75 g/mol
LogP2.41
Rot. Bonds3

About 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid

5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid (PubChem CID 122057769) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
PubChem CID122057769
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C15H14ClN3O3/c16-11-3-1-10(2-4-11)13-9-19(5-6-22-13)14-8-17-12(7-18-14)15(20)21/h1-4,7-8,13H,5-6,9H2,(H,20,21)/t13-/m0/s1
InChIKeyXQZNLCYCABWBLG-ZDUSSCGKSA-N
XLogP2.41
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56868455
6-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-ethyl-N-methylpyridine-3-carboxamide
CID 95558310
2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 56875818
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[5-(dimethylamino)pyrazin-2-yl]methanone
CID 129346071
6-[2-(4-chlorophenyl)morpholin-4-yl]-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 133319777
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
CID 95435807
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-1,3-thiazole-4-carboxamide
CID 95539381
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
6-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95532245
2-(4-bromophenyl)-4-(6-chloropyrazin-2-yl)morpholine
CID 47406272

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid (CID 122057769) is 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
The InChIKey is XQZNLCYCABWBLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-11-3-1-10(2-4-11)13-9-19(5-6-22-13)14-8-17-12(7-18-14)15(20)21/h1-4,7-8,13H,5-6,9H2,(H,20,21)/t13-/m0/s1.
What are the key properties of 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid?
5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid has a molecular weight of 319.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).